N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-diphenylacetyl)amino]benzamide
Formula:C28H22N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-diphenylacetyl)amino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-diphenylacetyl)amino]benzamide |
| MolecularFormula | C28H22N3O2Br |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C28H22BrN3O2/c29-25-14-8-7-13-23(25)19-30-32-27(33)22-15-17-24(18-16-22)31-28(34)26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-19,26H,(H,31,34)(H,32,33) |
| InChIK | XRQDNZRJTKMRMX-UHFFFAOYSA-N |
| TotalMolweight | 512.406 |
| Molweight | 512.406 |
| MonoisotopicMass | 511.089538 |
| CLogP | 6.6 |
| CLogS | -7.181 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 366.85 |
| Relative PSA | 0.16494 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.1311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-diphenylacetyl)amino]benzamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(2,2-diphenylacetyl)amino]benzamide
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